N-(4-dibenzo-p-dioxin-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-amine

C59H37NO3 — CID 126629778

IUPACN-(4-dibenzo-p-dioxin-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc6c(c5)Oc5ccccc5O6)cc4)c4ccc5c6c(cccc46)Oc4ccccc4-5)cc32)cc1
InChIInChI=1S/C59H37NO3/c1-3-14-40(15-4-1)59(41-16-5-2-6-17-41)49-21-9-7-18-44(49)45-32-31-43(37-50(45)59)60(51-34-33-47-46-19-8-10-22-52(46)61-56-25-13-20-48(51)58(47)56)42-29-26-38(27-30-42)39-28-35-55-57(36-39)63-54-24-12-11-23-53(54)62-55/h1-37H
InChIKeyDTKGMLPJJAIJAO-UHFFFAOYSA-N
MW807.95 g/mol
LogP16.01
Rot. Bonds6

About N-(4-dibenzo-p-dioxin-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-amine

N-(4-dibenzo-p-dioxin-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-amine (PubChem CID 126629778) has the molecular formula C59H37NO3 and a molecular weight of 807.95 g/mol. Its IUPAC name is N-(4-dibenzo-p-dioxin-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-amine.

Molecular Properties

Compound NameN-(4-dibenzo-p-dioxin-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-amine
PubChem CID126629778
Molecular FormulaC59H37NO3
Molecular Weight807.95 g/mol
Exact Mass807.28
IUPAC NameN-(4-dibenzo-p-dioxin-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc6c(c5)Oc5ccccc5O6)cc4)c4ccc5c6c(cccc46)Oc4ccccc4-5)cc32)cc1
InChIInChI=1S/C59H37NO3/c1-3-14-40(15-4-1)59(41-16-5-2-6-17-41)49-21-9-7-18-44(49)45-32-31-43(37-50(45)59)60(51-34-33-47-46-19-8-10-22-52(46)61-56-25-13-20-48(51)58(47)56)42-29-26-38(27-30-42)39-28-35-55-57(36-39)63-54-24-12-11-23-53(54)62-55/h1-37H
InChIKeyDTKGMLPJJAIJAO-UHFFFAOYSA-N
XLogP16.01
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.95
LogP ≤ 516.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(4-dibenzo-p-dioxin-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-amine with MolForge

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]pyridin-3-amine;N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-9,9-diphenyl-N-(4-pyridin-3-ylphenyl)fluoren-2-amine;N-(4-phenylphenyl)-N-(4-pyridin-3-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-amine
CID 160667855
5-N,12-N-bis(9,9-dimethylfluoren-2-yl)-5-N,12-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-5,12-diamine
CID 166900756
N-(9,9-diphenylfluoren-2-yl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]pyridin-3-amine
CID 122493285
N-[4-(3,4-diphenylphenyl)phenyl]-N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-9,9-diphenylfluoren-2-amine
CID 174307923
N-(9,9-diphenylfluoren-2-yl)-11-phenyl-N-(4-phenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2,4,6,9(14),10,12,15,17,19,21-undecaen-3-amine
CID 176597465
12-N-(9,9-dimethylfluoren-2-yl)-5-N,5-N-diphenyl-12-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-5,12-diamine
CID 168855534
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 167176947
9,9-diphenyl-N-(4-phenylphenyl)-N-[3-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]fluoren-2-amine
CID 90154251
N-(2-methyl-4-phenylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381269
9,9-dimethyl-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 122493264
N-(9,9-diphenylfluoren-2-yl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477449
N-(4-dibenzo-p-dioxin-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-amine
CID 126629784

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzo-p-dioxin-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-amine?
The IUPAC name of N-(4-dibenzo-p-dioxin-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-amine (CID 126629778) is N-(4-dibenzo-p-dioxin-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-amine.
What is the SMILES notation for N-(4-dibenzo-p-dioxin-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-amine?
The canonical SMILES for N-(4-dibenzo-p-dioxin-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc6c(c5)Oc5ccccc5O6)cc4)c4ccc5c6c(cccc46)Oc4ccccc4-5)cc32)cc1.
What is the InChIKey of N-(4-dibenzo-p-dioxin-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-amine?
The InChIKey is DTKGMLPJJAIJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37NO3/c1-3-14-40(15-4-1)59(41-16-5-2-6-17-41)49-21-9-7-18-44(49)45-32-31-43(37-50(45)59)60(51-34-33-47-46-19-8-10-22-52(46)61-56-25-13-20-48(51)58(47)56)42-29-26-38(27-30-42)39-28-35-55-57(36-39)63-54-24-12-11-23-53(54)62-55/h1-37H.
What are the key properties of N-(4-dibenzo-p-dioxin-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-amine?
N-(4-dibenzo-p-dioxin-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-amine has a molecular weight of 807.95 g/mol, XLogP of 16.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzo-p-dioxin-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-amine is sourced from PubChem (CID 126629778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).